UCSF

ZINC01693393

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 1.31 -6.11 0 1 0 17 189.041 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 11 - 13 Acros Organics
Melting_Point 11-13? Alfa-Aesar
Melting_Point 11-13° Alfa-Aesar
BP [°C] 118 (p=12 torr) Acros Organics
Boiling_Point 118?/12mm Alfa-Aesar
Boiling_Point 118°/12mm Alfa-Aesar
BP 128 / 12 TCI
MP 14 TCI
Purity 95+% Matrix Scientific
Purity 97% APIChem
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )